19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene

C44H24N4O3 — CID 134560065

About 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene

19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene (PubChem CID 134560065) has the molecular formula C44H24N4O3 and a molecular weight of 656.70 g/mol. Its IUPAC name is 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
• PubChem CID: 134560065
• Molecular Formula: C44H24N4O3
• Molecular Weight: 656.70 g/mol
• Exact Mass: 656.18
• IUPAC Name: 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene
• SMILES: c1ccc2c(c1)Oc1cc3c4ccccc4n(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c3c3c1N2c1ccccc1O3
• InChI: InChI=1S/C44H24N4O3/c1-4-14-31-28(13-1)40(25-21-22-36-29(23-25)27-12-3-8-18-35(27)49-36)46-44(45-31)48-32-15-5-2-11-26(32)30-24-39-42-43(41(30)48)51-38-20-10-7-17-34(38)47(42)33-16-6-9-19-37(33)50-39/h1-24H
• InChIKey: GAVNKCVKAVHFAG-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 65.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.70
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

The IUPAC name of 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene (CID 134560065) is 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene.

What is the SMILES notation for 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

The canonical SMILES for 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene is c1ccc2c(c1)Oc1cc3c4ccccc4n(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c3c3c1N2c1ccccc1O3.

What is the InChIKey of 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

The InChIKey is GAVNKCVKAVHFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O3/c1-4-14-31-28(13-1)40(25-21-22-36-29(23-25)27-12-3-8-18-35(27)49-36)46-44(45-31)48-32-15-5-2-11-26(32)30-24-39-42-43(41(30)48)51-38-20-10-7-17-34(38)47(42)33-16-6-9-19-37(33)50-39/h1-24H.

What are the key properties of 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene?

19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene has a molecular weight of 656.70 g/mol, XLogP of 11.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(4-dibenzofuran-2-ylquinazolin-2-yl)-2,16-dioxa-9,19-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.020,25]octacosa-1(28),3,5,7,10,12,14,17,20,22,24,26-dodecaene is sourced from PubChem (CID 134560065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).